8-(piperazin-1-ylsulfonylmethyl)quinoline

C14H17N3O2S — CID 119961854

IUPAC8-(piperazin-1-ylsulfonylmethyl)quinoline
SMILESO=S(=O)(Cc1cccc2cccnc12)N1CCNCC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,17-9-7-15-8-10-17)11-13-4-1-3-12-5-2-6-16-14(12)13/h1-6,15H,7-11H2
InChIKeyGFFHRBFNRHEQGO-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.97
Rot. Bonds3

About 8-(piperazin-1-ylsulfonylmethyl)quinoline

8-(piperazin-1-ylsulfonylmethyl)quinoline (PubChem CID 119961854) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-(piperazin-1-ylsulfonylmethyl)quinoline.

Molecular Properties

Compound Name8-(piperazin-1-ylsulfonylmethyl)quinoline
PubChem CID119961854
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-(piperazin-1-ylsulfonylmethyl)quinoline
SMILESO=S(=O)(Cc1cccc2cccnc12)N1CCNCC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,17-9-7-15-8-10-17)11-13-4-1-3-12-5-2-6-16-14(12)13/h1-6,15H,7-11H2
InChIKeyGFFHRBFNRHEQGO-UHFFFAOYSA-N
XLogP0.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776936
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
3-(2-methylpropyl)-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776547
3,3-dimethyl-4-(quinolin-8-ylmethylsulfonyl)morpholine
CID 154789646
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-ol
CID 129472857
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476

Frequently Asked Questions

What is the IUPAC name of 8-(piperazin-1-ylsulfonylmethyl)quinoline?
The IUPAC name of 8-(piperazin-1-ylsulfonylmethyl)quinoline (CID 119961854) is 8-(piperazin-1-ylsulfonylmethyl)quinoline.
What is the SMILES notation for 8-(piperazin-1-ylsulfonylmethyl)quinoline?
The canonical SMILES for 8-(piperazin-1-ylsulfonylmethyl)quinoline is O=S(=O)(Cc1cccc2cccnc12)N1CCNCC1.
What is the InChIKey of 8-(piperazin-1-ylsulfonylmethyl)quinoline?
The InChIKey is GFFHRBFNRHEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,17-9-7-15-8-10-17)11-13-4-1-3-12-5-2-6-16-14(12)13/h1-6,15H,7-11H2.
What are the key properties of 8-(piperazin-1-ylsulfonylmethyl)quinoline?
8-(piperazin-1-ylsulfonylmethyl)quinoline has a molecular weight of 291.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperazin-1-ylsulfonylmethyl)quinoline is sourced from PubChem (CID 119961854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).